HCID 18476900, compound → HCID 70159745, compound
Reaction equation
[C:1]([O:5][C:6]([NH:8][C@@H:9]([CH2:34][C:35]1[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=1)[C:10]([NH:12][C@@H:13]([CH2:17][C:18]1[CH:23]=[CH:22][C:21]([O:24][CH2:25][C:26]([O:28]C)=[O:27])=[C:20]([C:30]([O:32]C)=[O:31])[CH:19]=1)[C:14](O)=[O:15])=[O:11])=[O:7])([CH3:4])([CH3:3])[CH3:2].[NH2:41][CH2:42][CH:43]([OH:59])[CH2:44][N:45]([CH2:52][C:53]1[CH:58]=[CH:57][CH:56]=[CH:55][CH:54]=1)[C:46]1[CH:51]=[CH:50][CH:49]=[CH:48][CH:47]=1>>[CH2:52]([N:45]([CH2:44][CH:43]([OH:59])[CH2:42][NH:41][C:14](=[O:15])[C@@H:13]([NH:12][C:10](=[O:11])[C@@H:9]([NH:8][C:6]([O:5][C:1]([CH3:2])([CH3:3])[CH3:4])=[O:7])[CH2:34][C:35]1[CH:36]=[CH:37][CH:38]=[CH:39][CH:40]=1)[CH2:17][C:18]1[CH:23]=[CH:22][C:21]([O:24][CH2:25][C:26]([OH:28])=[O:27])=[C:20]([CH:19]=1)[C:30]([OH:32])=[O:31])[C:46]1[CH:51]=[CH:50][CH:49]=[CH:48][CH:47]=1)[C:53]1[CH:58]=[CH:57][CH:56]=[CH:55][CH:54]=1Participants
3
Procedure
Synthesis was performed from (2S)-2-({(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoyl}amino)-3-[3-(methoxycarbonyl)-4-(2-methoxy-2-oxoethoxy)phenyl]propanoic acid (85 mg, 0.15 mmol) and 1-amino-3-(N-benzylanilino)-2-propanol (47 mg, 0.18 mmol) according to Method C with HPLC purification to the title compound (23 mg) as a diasteromeric mixture. IR (KBr) 3414, 1654 cm−1; HRMS m/z 768.3382 (calc. of monoisotopic mass for C42H48N4O10 gives 768.3370).
Workup
- customSynthesis
- customaccording to Method C with HPLC purification to the title compound (23 mg) as a diasteromeric mixture
- customHRMS m/z 768.3382 (calc. of monoisotopic mass for C42H48N4O10 gives 768.3370)
Sources & evidence
- ORD record
- ord-434a64b2122d4a2f9f0ae44d94c4c1d2
- Source dataset
- uspto-grants-2002_06
- Patent number
- US06410585B1
Reaction notes
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